2-(5-aminotetrazol-2-yl)-N-[(E)-[(E)-2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]acetamide

C16H21N7O — CID 6884569

IUPAC2-(5-aminotetrazol-2-yl)-N-[(E)-[(E)-2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]acetamide
SMILESCC(/C=N/NC(=O)Cn1nnc(N)n1)=C\c1ccc(C(C)C)cc1
InChIInChI=1S/C16H21N7O/c1-11(2)14-6-4-13(5-7-14)8-12(3)9-18-19-15(24)10-23-21-16(17)20-22-23/h4-9,11H,10H2,1-3H3,(H2,17,21)(H,19,24)/b12-8+,18-9+
InChIKeyDCWMEZNRQOBYJB-KJXRKRIBSA-N
MW327.39 g/mol
LogP1.58
Rot. Bonds6

About 2-(5-aminotetrazol-2-yl)-N-[(E)-[(E)-2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]acetamide

2-(5-aminotetrazol-2-yl)-N-[(E)-[(E)-2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]acetamide (PubChem CID 6884569) has the molecular formula C16H21N7O and a molecular weight of 327.39 g/mol. Its IUPAC name is 2-(5-aminotetrazol-2-yl)-N-[(E)-[(E)-2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]acetamide.

Molecular Properties

Compound Name2-(5-aminotetrazol-2-yl)-N-[(E)-[(E)-2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]acetamide
PubChem CID6884569
Molecular FormulaC16H21N7O
Molecular Weight327.39 g/mol
Exact Mass327.18
IUPAC Name2-(5-aminotetrazol-2-yl)-N-[(E)-[(E)-2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]acetamide
SMILESCC(/C=N/NC(=O)Cn1nnc(N)n1)=C\c1ccc(C(C)C)cc1
InChIInChI=1S/C16H21N7O/c1-11(2)14-6-4-13(5-7-14)8-12(3)9-18-19-15(24)10-23-21-16(17)20-22-23/h4-9,11H,10H2,1-3H3,(H2,17,21)(H,19,24)/b12-8+,18-9+
InChIKeyDCWMEZNRQOBYJB-KJXRKRIBSA-N
XLogP1.58
TPSA111.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-aminotetrazol-2-yl)-N-[(E)-[(E)-2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]acetamide?
The IUPAC name of 2-(5-aminotetrazol-2-yl)-N-[(E)-[(E)-2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]acetamide (CID 6884569) is 2-(5-aminotetrazol-2-yl)-N-[(E)-[(E)-2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]acetamide.
What is the SMILES notation for 2-(5-aminotetrazol-2-yl)-N-[(E)-[(E)-2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]acetamide?
The canonical SMILES for 2-(5-aminotetrazol-2-yl)-N-[(E)-[(E)-2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]acetamide is CC(/C=N/NC(=O)Cn1nnc(N)n1)=C\c1ccc(C(C)C)cc1.
What is the InChIKey of 2-(5-aminotetrazol-2-yl)-N-[(E)-[(E)-2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]acetamide?
The InChIKey is DCWMEZNRQOBYJB-KJXRKRIBSA-N. The full InChI is InChI=1S/C16H21N7O/c1-11(2)14-6-4-13(5-7-14)8-12(3)9-18-19-15(24)10-23-21-16(17)20-22-23/h4-9,11H,10H2,1-3H3,(H2,17,21)(H,19,24)/b12-8+,18-9+.
What are the key properties of 2-(5-aminotetrazol-2-yl)-N-[(E)-[(E)-2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]acetamide?
2-(5-aminotetrazol-2-yl)-N-[(E)-[(E)-2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]acetamide has a molecular weight of 327.39 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-aminotetrazol-2-yl)-N-[(E)-[(E)-2-methyl-3-(4-propan-2-ylphenyl)prop-2-enylidene]amino]acetamide is sourced from PubChem (CID 6884569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).